N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

C24H30N8 — CID 53374559

IUPACN-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(NCCN(C)C)n4n3)nc2c1
InChIInChI=1S/C24H30N8/c1-16-7-8-18-19(13-16)27-24(17(2)26-18)20-14-23-28-22(31-10-5-6-11-31)15-21(32(23)29-20)25-9-12-30(3)4/h7-8,13-15,25H,5-6,9-12H2,1-4H3
InChIKeyLMORLEIOECPOGN-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 53374559) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID53374559
Molecular FormulaC24H30N8
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC NameN-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(NCCN(C)C)n4n3)nc2c1
InChIInChI=1S/C24H30N8/c1-16-7-8-18-19(13-16)27-24(17(2)26-18)20-14-23-28-22(31-10-5-6-11-31)15-21(32(23)29-20)25-9-12-30(3)4/h7-8,13-15,25H,5-6,9-12H2,1-4H3
InChIKeyLMORLEIOECPOGN-UHFFFAOYSA-N
XLogP3.53
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (CID 53374559) is N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is Cc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(NCCN(C)C)n4n3)nc2c1.
What is the InChIKey of N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LMORLEIOECPOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8/c1-16-7-8-18-19(13-16)27-24(17(2)26-18)20-14-23-28-22(31-10-5-6-11-31)15-21(32(23)29-20)25-9-12-30(3)4/h7-8,13-15,25H,5-6,9-12H2,1-4H3.
What are the key properties of N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 430.56 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 53374559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).